CID 158752543

C263H170N40Pt8S-6 — CID 158752543

About CID 158752543

CID 158752543 (PubChem CID 158752543) has the molecular formula C263H170N40Pt8S-6 and a molecular weight of 5483.22 g/mol.

Molecular Properties

• Compound Name: CID 158752543
• PubChem CID: 158752543
• Molecular Formula: C263H170N40Pt8S-6
• Molecular Weight: 5483.22 g/mol
• Exact Mass: 5479.15
• IUPAC Name: —
• SMILES: CN1C=CN(c2[c-]c3c(cc2)-c2ncccc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)[CH-]1.CN1C=NN(c2[c-]c3c(cc2)-c2ncccc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)[CH-]1.Cc1cc(C)n(-c2[c-]c3c(cc2)-c2ncccc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)n1.Cn1ccnc1-c1[c-]c2c(cc1)-c1ncccc1-c1ccccc1N2c1[c-]c(-c2ccccn2)ccc1.Cn1ccnc1-c1[c-]c2c(cc1)-c1ncccc1-c1ccccc1N2c1[c-]c(-c2ccccn2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nc4ccccc4s3)ccc2-c2ncccc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-n3cc(-c4ccccc4)cn3)ccc2-c2ncccc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-n3cccn3)ccc2-c2ncccc2-c2ccccc21
• InChI: InChI=1S/C37H23N5.C35H20N4S.C33H23N5.C32H22N5.2C32H21N5.C31H21N6.C31H19N5.8Pt/c1-2-10-26(11-3-1)28-24-40-41(25-28)29-18-19-33-36(23-29)42(30-13-8-12-27(22-30)34-16-6-7-20-38-34)35-17-5-4-14-31(35)32-15-9-21-39-37(32)33;1-3-15-31-26(11-1)27-12-8-20-37-34(27)28-18-17-24(35-38-30-14-2-4-16-33(30)40-35)22-32(28)39(31)25-10-7-9-23(21-25)29-13-5-6-19-36-29;1-22-19-23(2)38(36-22)26-15-16-29-32(21-26)37(25-10-7-9-24(20-25)30-13-5-6-17-34-30)31-14-4-3-11-27(31)28-12-8-18-35-33(28)29;1-35-18-19-36(22-35)24-14-15-28-31(21-24)37(25-9-6-8-23(20-25)29-12-4-5-16-33-29)30-13-3-2-10-26(30)27-11-7-17-34-32(27)28;2*1-36-19-18-35-32(36)23-14-15-27-30(21-23)37(24-9-6-8-22(20-24)28-12-4-5-16-33-28)29-13-3-2-10-25(29)26-11-7-17-34-31(26)27;1-35-20-34-36(21-35)23-14-15-27-30(19-23)37(24-9-6-8-22(18-24)28-12-4-5-16-32-28)29-13-3-2-10-25(29)26-11-7-17-33-31(26)27;1-2-13-29-25(10-1)26-11-6-17-33-31(26)27-15-14-23(35-19-7-18-34-35)21-30(27)36(29)24-9-5-8-22(20-24)28-12-3-4-16-32-28;;;;;;;;/h1-21,24-25H;1-20H;3-19H,1-2H3;2-19,22H,1H3;2*2-19H,1H3;2-17,20-21H,1H3;1-19H;;;;;;;;/q3*-2;-3;2*-2;-3;-2;;;6*+2
• InChIKey: RNMFOBSSTFKAQY-UHFFFAOYSA-N
• XLogP: 60.94
• TPSA: 359.47 Ų
• H-Bond Acceptors: 41
• Rotatable Bonds: 25
• Heavy Atoms: 312
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5483.22
LogP ≤ 5	60.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of CID 158752543?

The IUPAC name of CID 158752543 (CID 158752543) is not available.

What is the SMILES notation for CID 158752543?

The canonical SMILES for CID 158752543 is CN1C=CN(c2[c-]c3c(cc2)-c2ncccc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)[CH-]1.CN1C=NN(c2[c-]c3c(cc2)-c2ncccc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)[CH-]1.Cc1cc(C)n(-c2[c-]c3c(cc2)-c2ncccc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)n1.Cn1ccnc1-c1[c-]c2c(cc1)-c1ncccc1-c1ccccc1N2c1[c-]c(-c2ccccn2)ccc1.Cn1ccnc1-c1[c-]c2c(cc1)-c1ncccc1-c1ccccc1N2c1[c-]c(-c2ccccn2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nc4ccccc4s3)ccc2-c2ncccc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-n3cc(-c4ccccc4)cn3)ccc2-c2ncccc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-n3cccn3)ccc2-c2ncccc2-c2ccccc21.

What is the InChIKey of CID 158752543?

The InChIKey is RNMFOBSSTFKAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N5.C35H20N4S.C33H23N5.C32H22N5.2C32H21N5.C31H21N6.C31H19N5.8Pt/c1-2-10-26(11-3-1)28-24-40-41(25-28)29-18-19-33-36(23-29)42(30-13-8-12-27(22-30)34-16-6-7-20-38-34)35-17-5-4-14-31(35)32-15-9-21-39-37(32)33;1-3-15-31-26(11-1)27-12-8-20-37-34(27)28-18-17-24(35-38-30-14-2-4-16-33(30)40-35)22-32(28)39(31)25-10-7-9-23(21-25)29-13-5-6-19-36-29;1-22-19-23(2)38(36-22)26-15-16-29-32(21-26)37(25-10-7-9-24(20-25)30-13-5-6-17-34-30)31-14-4-3-11-27(31)28-12-8-18-35-33(28)29;1-35-18-19-36(22-35)24-14-15-28-31(21-24)37(25-9-6-8-23(20-25)29-12-4-5-16-33-29)30-13-3-2-10-26(30)27-11-7-17-34-32(27)28;2*1-36-19-18-35-32(36)23-14-15-27-30(21-23)37(24-9-6-8-22(20-24)28-12-4-5-16-33-28)29-13-3-2-10-25(29)26-11-7-17-34-31(26)27;1-35-20-34-36(21-35)23-14-15-27-30(19-23)37(24-9-6-8-22(18-24)28-12-4-5-16-32-28)29-13-3-2-10-25(29)26-11-7-17-33-31(26)27;1-2-13-29-25(10-1)26-11-6-17-33-31(26)27-15-14-23(35-19-7-18-34-35)21-30(27)36(29)24-9-5-8-22(20-24)28-12-3-4-16-32-28;;;;;;;;/h1-21,24-25H;1-20H;3-19H,1-2H3;2-19,22H,1H3;2*2-19H,1H3;2-17,20-21H,1H3;1-19H;;;;;;;;/q3*-2;-3;2*-2;-3;-2;;;6*+2.

What are the key properties of CID 158752543?

CID 158752543 has a molecular weight of 5483.22 g/mol, XLogP of 60.94, 25 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for CID 158752543 is sourced from PubChem (CID 158752543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).